#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1und n LEU 2 N 0.00 -6.26 -4.77 2.98 4.32 -1.26 -4.97 117.00 107.04 1und n LEU 2 Ca 0.00 0.73 -0.36 0.00 -0.02 0.00 0.00 56.01 56.36 1und n LEU 2 Cb 0.00 -2.74 0.01 0.00 -1.62 0.00 0.00 43.42 39.07 1und n LEU 2 CO 0.00 -2.12 0.81 -0.94 -1.22 0.00 0.00 177.39 173.92 1und s SER 3 N -1.76 5.58 0.59 -1.43 1.04 -1.26 -4.78 113.70 111.69 1und s SER 3 Ca 0.13 2.27 0.29 0.00 0.48 0.00 0.00 55.95 59.12 1und s SER 3 Cb -0.03 -2.59 1.74 0.00 0.10 0.00 0.00 66.02 65.24 1und s SER 3 CO 0.64 -1.32 2.16 -0.33 0.98 0.00 0.00 173.24 175.38 1und h GLU 4 N 1.18 0.00 0.00 4.02 4.39 -1.98 0.14 114.58 122.32 1und h GLU 4 Ca -0.50 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.17 1und h GLU 4 Cb 1.27 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.92 1und h GLU 4 CO 0.57 0.00 -0.18 1.96 -1.16 0.00 0.00 179.01 180.19 1und h GLN 5 N 0.00 0.00 -0.73 2.33 7.50 -2.00 -3.12 115.11 119.09 1und h GLN 5 Ca 0.05 0.00 0.02 0.00 0.50 0.00 0.00 58.65 59.22 1und h GLN 5 Cb 0.29 0.00 -0.04 0.00 0.05 0.00 0.00 27.48 27.78 1und h GLN 5 CO -0.00 0.92 0.48 0.22 -1.50 0.00 0.00 178.83 178.96 1und h ASP 6 N -1.00 0.80 -0.32 1.46 3.58 -1.79 -1.23 116.42 117.91 1und h ASP 6 Ca -0.05 -0.01 0.06 0.00 0.42 0.00 0.00 57.03 57.44 1und h ASP 6 Cb 0.97 -0.19 -0.08 0.00 1.72 0.00 0.00 39.33 41.75 1und h ASP 6 CO -0.03 0.56 -0.45 0.15 -2.88 0.00 0.00 179.24 176.59 1und h PHE 7 N 0.93 -1.33 -0.14 0.28 3.04 -0.89 -0.54 116.94 118.30 1und h PHE 7 Ca 0.28 0.07 -0.00 0.00 3.98 0.00 0.00 57.97 62.29 1und h PHE 7 Cb -0.02 0.63 -0.01 0.00 2.56 0.00 0.00 35.95 39.10 1und h PHE 7 CO -0.00 -0.47 0.07 0.28 -2.02 0.00 0.00 178.31 176.18 1und h VAL 8 N -0.40 1.04 -0.23 1.41 2.07 -1.17 0.39 116.25 119.36 1und h VAL 8 Ca 0.11 -0.11 -0.05 0.00 0.82 0.00 0.00 66.70 67.46 1und h VAL 8 Cb 0.61 0.86 -0.01 0.00 -1.52 0.00 0.00 31.29 31.23 1und h VAL 8 CO -0.53 0.05 -0.05 -1.28 0.02 0.00 0.00 177.57 175.78 1und h SER 9 N 0.18 0.45 0.50 0.57 0.87 -0.76 -0.07 113.55 115.29 1und h SER 9 Ca 0.05 -0.36 -0.20 0.00 -1.23 0.00 0.00 61.79 60.05 1und h SER 9 Cb 0.01 -0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 61.84 1und h SER 9 CO -0.01 0.70 -0.89 0.58 -0.53 0.00 0.00 176.83 176.69 1und h VAL 10 N 0.19 1.46 0.18 2.23 2.07 -0.22 -3.32 116.25 118.85 1und h VAL 10 Ca 0.06 -2.54 -0.33 0.00 0.82 0.00 0.00 66.70 64.71 1und h VAL 10 Cb 0.50 2.43 0.01 0.00 -1.52 0.00 0.00 31.29 32.72 1und h VAL 10 CO 0.02 0.75 -1.55 -0.26 0.02 0.00 0.00 177.57 176.55 1und h PHE 11 N 0.15 0.71 0.00 1.57 -1.00 -0.30 -3.48 116.94 114.59 1und h PHE 11 Ca -0.05 -0.52 0.00 0.00 2.81 0.00 0.00 57.97 60.21 1und h PHE 11 Cb 1.51 -0.03 0.00 0.00 3.61 0.00 0.00 35.95 41.04 1und h PHE 11 CO 0.04 1.52 0.00 0.41 -1.61 0.00 0.00 178.31 178.67 1und n GLY 12 N 1.73 0.47 3.26 -1.45 0.00 -0.04 -5.03 105.19 104.12 1und n GLY 12 Ca -0.18 -0.80 -0.13 0.00 0.00 0.00 0.00 46.02 44.90 1und n GLY 12 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1und s ILE 13 N -2.00 0.02 0.81 -0.61 -4.36 -1.23 -5.06 121.20 108.77 1und s ILE 13 Ca 0.00 -0.14 -0.11 0.00 -0.26 0.00 0.00 60.65 60.14 1und s ILE 13 Cb 0.00 -0.56 0.08 0.00 1.25 0.00 0.00 42.46 43.23 1und s ILE 13 CO 0.00 -0.08 1.12 0.28 0.24 0.00 0.00 174.94 176.50 1und s THR 14 N -0.30 2.86 0.27 8.37 -1.32 -1.26 -4.48 115.64 119.78 1und s THR 14 Ca -0.04 0.29 -0.00 0.00 -1.21 0.00 0.00 61.69 60.73 1und s THR 14 Cb -0.03 -2.62 0.26 0.00 -1.51 0.00 0.00 72.50 68.59 1und s THR 14 CO 0.02 -0.35 1.80 -0.09 -2.21 0.00 0.00 174.62 173.79 1und h ARG 15 N -1.29 0.79 0.28 7.08 2.43 -1.97 0.16 114.38 121.86 1und h ARG 15 Ca -0.44 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 58.67 1und h ARG 15 Cb 1.25 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 30.62 1und h ARG 15 CO 0.48 0.52 -0.14 0.78 -1.51 0.00 0.00 179.97 180.11 1und h GLY 16 N 0.81 -0.40 1.10 2.80 0.00 -1.99 -1.51 103.07 103.89 1und h GLY 16 Ca 0.48 0.15 -0.03 0.00 0.00 0.00 0.00 47.33 47.92 1und h GLY 16 CO -0.30 -0.14 0.36 -1.61 0.00 0.00 0.00 176.54 174.84 1und h GLN 17 N -0.66 1.15 -0.10 4.80 4.15 -1.87 -2.05 115.11 120.54 1und h GLN 17 Ca -0.04 -0.18 -0.00 0.00 0.77 0.00 0.00 58.65 59.20 1und h GLN 17 Cb 0.46 -0.20 -0.00 0.00 0.21 0.00 0.00 27.48 27.94 1und h GLN 17 CO 0.06 0.90 0.06 0.35 -1.93 0.00 0.00 178.83 178.27 1und h PHE 18 N 1.14 0.13 0.00 3.99 3.04 -0.67 0.18 116.94 124.75 1und h PHE 18 Ca 0.27 -0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.22 1und h PHE 18 Cb 0.15 -0.04 0.00 0.00 2.56 0.00 0.00 35.95 38.61 1und h PHE 18 CO 0.02 0.15 0.00 0.00 -2.02 0.00 0.00 178.31 176.45 1und h ALA 19 N 0.97 1.00 0.09 2.41 0.00 -1.00 -2.29 119.26 120.44 1und h ALA 19 Ca 0.04 0.00 -0.30 0.00 0.00 0.00 0.00 54.91 54.65 1und h ALA 19 Cb 0.06 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1und h ALA 19 CO -0.01 0.00 -1.54 0.00 0.00 0.00 0.00 179.25 177.70 1und h ALA 20 N 2.01 0.36 -2.85 0.00 0.00 -0.66 -3.47 119.26 114.65 1und h ALA 20 Ca 0.00 -1.16 -0.54 0.00 0.00 0.00 0.00 54.91 53.20 1und h ALA 20 Cb 0.24 0.30 0.16 0.00 0.00 0.00 0.00 17.79 18.49 1und h ALA 20 CO 0.00 1.22 0.44 -0.51 0.00 0.00 0.00 179.25 180.40 1und s LEU 21 N -6.84 3.40 0.44 0.00 1.43 -0.01 -4.94 118.68 112.16 1und s LEU 21 Ca -0.08 2.48 -0.23 0.00 -1.03 0.00 0.00 54.13 55.26 1und s LEU 21 Cb 0.07 -4.60 -0.10 0.00 0.03 0.00 0.00 46.19 41.59 1und s LEU 21 CO 0.84 -2.24 0.95 -2.65 0.23 0.00 0.00 176.35 173.49 1und n PRO 22 N -2.48 1.21 -0.17 1.29 -0.02 -1.26 -4.72 135.00 128.86 1und n PRO 22 Ca 0.15 0.44 0.21 0.00 -2.02 0.00 0.00 63.50 62.27 1und n PRO 22 Cb 0.49 -2.00 0.59 0.00 -0.02 0.00 0.00 33.50 32.56 1und n PRO 22 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 1und h GLY 23 N 1.33 0.47 0.61 -1.23 0.00 -1.93 0.15 103.07 102.47 1und h GLY 23 Ca -0.45 -0.11 -0.00 0.00 0.00 0.00 0.00 47.33 46.77 1und h GLY 23 CO 0.55 0.01 -0.02 0.11 0.00 0.00 0.00 176.54 177.19 1und h TRP 24 N 0.24 -0.06 -0.23 5.60 5.08 -1.99 -1.67 115.95 122.91 1und h TRP 24 Ca 0.40 -0.00 -0.02 0.00 1.08 0.00 0.00 58.89 60.34 1und h TRP 24 Cb 1.19 0.02 -0.01 0.00 -3.00 0.00 0.00 29.16 27.36 1und h TRP 24 CO -0.00 0.32 0.05 -0.22 -1.28 0.00 0.00 178.44 177.31 1und h LYS 25 N -0.46 0.33 0.63 0.12 1.63 -1.51 0.10 116.57 117.41 1und h LYS 25 Ca -0.01 -0.04 -0.03 0.00 -0.85 0.00 0.00 60.65 59.72 1und h LYS 25 Cb 0.41 -0.06 0.01 0.00 -0.60 0.00 0.00 32.23 31.99 1und h LYS 25 CO 0.01 0.32 -0.30 1.96 -3.45 0.00 0.00 179.45 177.99 1und h GLN 26 N 0.33 -0.81 -0.70 1.90 4.20 -0.96 -1.02 115.11 118.05 1und h GLN 26 Ca 0.08 0.06 -0.07 0.00 0.06 0.00 0.00 58.65 58.78 1und h GLN 26 Cb 0.15 0.19 -0.03 0.00 0.30 0.00 0.00 27.48 28.09 1und h GLN 26 CO -0.00 -0.52 0.18 1.37 -0.67 0.00 0.00 178.83 179.19 1und h LEU 27 N -0.92 1.06 -0.19 1.46 8.10 -0.90 -1.66 115.31 122.26 1und h LEU 27 Ca -0.09 -0.22 0.05 0.00 0.11 0.00 0.00 57.88 57.73 1und h LEU 27 Cb 0.67 -0.28 -0.05 0.00 -0.44 0.00 0.00 40.66 40.56 1und h LEU 27 CO 0.14 1.01 -0.14 -0.61 -4.11 0.00 0.00 178.44 174.73 1und h GLN 28 N 1.06 -0.13 -0.53 0.17 -0.00 -0.79 -1.21 115.11 113.68 1und h GLN 28 Ca 0.22 0.01 -0.01 0.00 -0.00 0.00 0.00 58.65 58.87 1und h GLN 28 Cb 0.36 0.03 -0.02 0.00 0.00 0.00 0.00 27.48 27.84 1und h GLN 28 CO 0.00 -0.09 0.28 0.52 0.00 0.00 0.00 178.83 179.54 1und h MET 29 N -0.14 0.75 -0.09 1.69 2.86 -0.82 -0.14 114.93 119.05 1und h MET 29 Ca 0.11 -0.10 0.04 0.00 -2.06 0.00 0.00 59.70 57.69 1und h MET 29 Cb 0.31 -0.14 -0.04 0.00 0.06 0.00 0.00 31.60 31.78 1und h MET 29 CO -0.28 0.60 -0.17 0.87 1.06 0.00 0.00 176.91 179.00 1und h LYS 30 N 0.71 -0.22 -0.20 1.72 1.57 -0.95 -0.13 116.57 119.08 1und h LYS 30 Ca 0.19 0.02 0.02 0.00 -1.87 0.00 0.00 60.65 59.00 1und h LYS 30 Cb 0.08 0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.42 1und h LYS 30 CO -0.03 -0.15 0.08 0.87 -0.57 0.00 0.00 179.45 179.66 1und h LYS 31 N -0.23 0.18 0.29 3.15 1.57 -1.02 -1.25 116.57 119.26 1und h LYS 31 Ca 0.08 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.84 1und h LYS 31 Cb 0.34 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.62 1und h LYS 31 CO -0.22 0.12 -0.14 0.93 -0.57 0.00 0.00 179.45 179.57 1und h GLU 32 N 0.19 -0.37 -0.28 3.15 4.39 -0.73 0.79 114.58 121.72 1und h GLU 32 Ca 0.08 0.03 0.06 0.00 0.34 0.00 0.00 59.36 59.86 1und h GLU 32 Cb 0.04 0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 28.76 1und h GLU 32 CO -0.07 -0.07 0.19 0.87 -1.16 0.00 0.00 179.01 178.77 1und h LYS 33 N -0.67 0.12 0.00 2.33 6.56 -1.09 0.01 116.57 123.84 1und h LYS 33 Ca -0.04 -0.01 0.00 0.00 -1.06 0.00 0.00 60.65 59.54 1und h LYS 33 Cb 0.47 -0.03 0.00 0.00 -0.57 0.00 0.00 32.23 32.10 1und h LYS 33 CO 0.06 0.08 0.00 0.41 -2.06 0.00 0.00 179.45 177.95 1und n GLY 34 N -1.56 -2.51 2.19 3.86 0.00 -0.47 -4.39 105.19 102.31 1und n GLY 34 Ca 0.03 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.80 1und n GLY 34 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1und n LEU 35 N -0.03 6.90 0.00 0.99 -0.00 0.23 -5.08 117.00 120.01 1und n LEU 35 Ca 0.00 -3.82 0.00 0.00 -0.00 0.00 0.00 56.01 52.19 1und n LEU 35 Cb 0.00 -1.07 0.00 0.00 -0.00 0.00 0.00 43.42 42.35 1und n LEU 35 CO 0.00 1.42 0.10 2.22 -0.00 0.00 0.00 177.39 181.13